7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide

C14H20F2N2O2 — CID 119812850

IUPAC7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
SMILESCOc1cc(F)c(NC(=O)CCCCCCN)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-20-13-9-10(15)12(8-11(13)16)18-14(19)6-4-2-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyFYJRSRDFRBJHFU-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.82
Rot. Bonds8

About 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide

7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide (PubChem CID 119812850) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
PubChem CID119812850
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
SMILESCOc1cc(F)c(NC(=O)CCCCCCN)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-20-13-9-10(15)12(8-11(13)16)18-14(19)6-4-2-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyFYJRSRDFRBJHFU-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315
N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
CID 115162824
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
5-(6-aminohexanoylamino)-2,4-difluorobenzoic acid
CID 43696510
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide?
The IUPAC name of 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide (CID 119812850) is 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide is COc1cc(F)c(NC(=O)CCCCCCN)cc1F.
What is the InChIKey of 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide?
The InChIKey is FYJRSRDFRBJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-20-13-9-10(15)12(8-11(13)16)18-14(19)6-4-2-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide?
7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide has a molecular weight of 286.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide is sourced from PubChem (CID 119812850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).